Structure of PDB 2dcl Chain A Binding Site BS02

Receptor Information
>2dcl Chain A (length=99) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEVEHWNTLRLRIYIGENDKWEGRPLYKVIVEKLREMGIAGATVYRGIYG
FGTDLPIIVEVVDRGHNIEKVVNVIKPMIKDGMITVEPTIVLWVGTQEE
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain2dcl Chain B Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2dcl Crystal structure of PH1503 protein from Pyrococcus Horikoshii OT3
Resolution2.28 Å
Binding residue
(original residue number in PDB)		G51 F52 G53 M98
Binding residue
(residue number reindexed from 1)		G50 F51 G52 M83
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2dcl, PDBe:2dcl, PDBj:2dcl
PDBsum2dcl
PubMed
UniProtO59172|Y1503_PYRHO UPF0166 protein PH1503 (Gene Name=PH1503)

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